4UHG
Crystal structure of human tankyrase 2 in complex with TA-21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-09 |
Detector | DECTRIS PIXEL |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.990, 98.530, 119.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.950 - 1.700 |
R-factor | 0.17657 |
Rwork | 0.175 |
R-free | 0.20362 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.349 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.110 | 0.950 |
Number of reflections | 59271 | |
<I/σ(I)> | 13.7 | 1.95 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.8 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.2 M LISO4, 0.1 M TRIS HCL, 22% PEG3350, PH 8.5 |